Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | UBE2M | P61081 | 1/20 | 0.47 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CCR3 | P51677 | 4/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.43 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6056811 | 0.88 | FAAH (0.52) | OPRM1UBE2MDCUN1D1SIGMAR1CCR3 | |
| Trifluoroacetic Acid SCHEMBL6056789 | 0.88 | CCR3 (0.59) | OPRM1UBE2MDCUN1D1CCR3SLC6A2 | |
| Trifluoroacetic Acid SCHEMBL6056774 | 0.86 | OPRM1 (0.48) | OPRM1UBE2MDCUN1D1CCR3KDM4E | |
| Trifluoroacetic Acid SCHEMBL6056688 | 0.85 | OPRM1 (0.51) | OPRM1UBE2MDCUN1D1SIGMAR1CCR3 | |
| Trifluoroacetic Acid SCHEMBL6056668 | 0.85 | CCR3 (0.55) | OPRM1SIGMAR1CCR3SLC6A2SLC6A4 | |
| Trifluoroacetic Acid SCHEMBL6056778 | 0.85 | OPRM1 (0.47) | OPRM1DRD4CCR3SLC6A2SLC6A4 | |
| Trifluoroacetic Acid SCHEMBL6056672 | 0.84 | OPRM1 (0.55) | OPRM1SIGMAR1CCR3SLC6A2SLC6A4 | |
| Trifluoroacetic Acid SCHEMBL6056699 | 0.83 | CCR3 (0.56) | OPRM1UBE2MDCUN1D1CCR3 | |
| Trifluoroacetic Acid SCHEMBL6056855 | 0.83 | CCR3 (0.53) | OPRM1UBE2MDCUN1D1SIGMAR1CCR3 | |
| Trifluoroacetic Acid SCHEMBL6056733 | 0.83 | CCR3 (0.53) | OPRM1UBE2MDCUN1D1CCR3SLC6A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1219605-B1 | UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2006-05-10 | — | — | EP | disclosed |
| US-6787650-B1 | CCR5 ANTAGONISTIC ACTIVITY; SUCH AS N-(3-(4-BENZYL-1-PIPERIDINYL)PROPYL)-N'-4-CHLOROPHENYL)-N-PHENYLUREA | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-09-07 | — | — | US | disclosed |
| EP-1219605-A1 | UREA COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-07-03 | — | — | EP | disclosed |